5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide

C13H16N4OS2 — CID 61097252

IUPAC5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide
SMILESCc1ncsc1CCOc1nnc(C)c(C)c1C(N)=S
InChIInChI=1S/C13H16N4OS2/c1-7-8(2)16-17-13(11(7)12(14)19)18-5-4-10-9(3)15-6-20-10/h6H,4-5H2,1-3H3,(H2,14,19)
InChIKeyZQJQJZXNHQQOEE-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.11
Rot. Bonds5

About 5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide

5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide (PubChem CID 61097252) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide.

Molecular Properties

Compound Name5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide
PubChem CID61097252
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC Name5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide
SMILESCc1ncsc1CCOc1nnc(C)c(C)c1C(N)=S
InChIInChI=1S/C13H16N4OS2/c1-7-8(2)16-17-13(11(7)12(14)19)18-5-4-10-9(3)15-6-20-10/h6H,4-5H2,1-3H3,(H2,14,19)
InChIKeyZQJQJZXNHQQOEE-UHFFFAOYSA-N
XLogP2.11
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide
CID 114768080
2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide
CID 24692502
5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazine-4-carbothioamide
CID 54966765
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarbothioamide
CID 62948313
4-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarbothioamide
CID 55181570
5-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridin-3-amine
CID 62475742
bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
3-[(4-chlorophenyl)methoxy]-5,6-dimethylpyridazine-4-carbothioamide
CID 65126357
2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1,3-thiazol-5-amine
CID 102769344
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrazin-2-one
CID 103240598
5-[2-[(3-bromo-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole
CID 61373558

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide?
The IUPAC name of 5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide (CID 61097252) is 5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide.
What is the SMILES notation for 5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide?
The canonical SMILES for 5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide is Cc1ncsc1CCOc1nnc(C)c(C)c1C(N)=S.
What is the InChIKey of 5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide?
The InChIKey is ZQJQJZXNHQQOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-7-8(2)16-17-13(11(7)12(14)19)18-5-4-10-9(3)15-6-20-10/h6H,4-5H2,1-3H3,(H2,14,19).
What are the key properties of 5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide?
5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide has a molecular weight of 308.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide is sourced from PubChem (CID 61097252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).